Materials Data on Li4CrFe3O8 by Materials Project
Li4CrFe3O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.45 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two O2- atoms. Both Li–O bond lengths are 1.94 Å. In the third Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.45 Å. In the fourth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.46 Å. Cr3+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.78–2.33 Å. There are four inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 1.79–2.36 Å. In the second Fe3+ site, Fe3+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 1.80–2.35 Å. In the third Fe3+ site, Fe3+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 1.79–2.35 Å. In the fourth Fe3+ site, Fe3+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 1.80–2.35 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two Fe3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Li1+ and three Fe3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+ and three Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+, one Cr3+, and two Fe3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Li1+, one Cr3+, and two Fe3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and two equivalent Fe3+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+, one Cr3+, and two Fe3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to three Li1+, one Cr3+, and two Fe3+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1300270
- Report Number(s):
- mp-771065
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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